SCHEMBL5693198

SCHEMBL5693198

O=C1c2ccccc2C(O)N1CC1CC1.O=C1c2ccccc2C(O)N1CC1CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
HPGD P15428 2/20 0.55
LMNA P02545 1/20 0.55
PKM P14618 3/20 0.54
ALDH1A1 P00352 2/20 0.54
PDE6D O43924 2/20 0.52
FFAR1 O14842 1/20 0.51
RAB9A P51151 5/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 2/20 0.42
TSHR P16473 1/20 0.42
STAT3 P40763 1/20 0.40
STAT1 P42224 1/20 0.40
GAA P10253 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4466754 1.00 L3MBTL1 (0.56) L3MBTL1HPGDLMNAPKMALDH1A1
SCHEMBL8971112 0.82 L3MBTL1 (0.55) L3MBTL1PDE6D
SCHEMBL18826924 0.81 L3MBTL1 (0.57) L3MBTL1HPGDLMNAPKMALDH1A1
SCHEMBL18472175 0.81 L3MBTL1 (0.57) L3MBTL1HPGDLMNAPKMALDH1A1
SCHEMBL6233047 0.78 HPGD (0.59) L3MBTL1HPGDLMNAPKMALDH1A1
SCHEMBL4465439 0.78 HPGD (0.59) L3MBTL1HPGDLMNAPKMALDH1A1
SCHEMBL4473193 0.78 FFAR1 (0.52) L3MBTL1HPGDLMNAALDH1A1PDE6D
SCHEMBL24779592 0.78 HTR2A (0.64) L3MBTL1HPGDLMNAALDH1A1PDE6D
SCHEMBL23946227 0.77 GPR119 (0.46) PKMFFAR1
SCHEMBL20000839 0.77 FFAR1 (0.48) L3MBTL1HPGDALDH1A1PDE6DFFAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1528923-B1 N-((3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL)ACETYL)GUANIDINE DERIVATIVES AS NHE1-INHIBITORS FOR THE TREATMENT OF INFARCTION AND ANGINA PECTORIS SANOFI AVENTIS DEUTSCHLAND (DE) 2006-05-03 EP disclosed
EP-1528923-A1 N-((3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL)ACETYL)GUANIDINE DERIVATIVES AS NHE1-INHIBITORS FOR THE TREATMENT OF INFARCTION AND ANGINA PECTORIS Aventis Pharma Deutschland GmbH (DE) 2005-05-11 EP disclosed
WO-2003101450-A1 N- ((3-OXO2, 3-DIHYDRO-1H-ISOINDOL-1-YL) ACETYL) GUANIDINE DERIVATIVES AS NHE-1 INHIBITORS FOR THE TREATMENT OF INFARCTION AND ANGINA PECTORIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-12-11 WO disclosed